𝔖 Bobbio Scriptorium
✦   LIBER   ✦

An ab initio study of the nuclear spin-spin coupling constants in the second-row hydrides

✍ Scribed by M.F. Guest; R.E. Overall

Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
342 KB
Volume
73
Category
Article
ISSN
0009-2614

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

The orbital diamagnetic contribution to
The orbital diamagnetic contribution to nuclear spinβ€”spin coupling constants in the first- and second-row hydrides: An AB initio study
✍ Richard E. Overill; Martyn F. Guest πŸ“‚ Article πŸ“… 1983 πŸ› Elsevier Science 🌐 English βš– 321 KB

Ab initio calculations of the orbital diamagnetic contrrbutions to nuclear spin-spin coupling constants in the first-and second-row hydrides have been performed. The gaussian basis set dependence of this property has been studied and the effects of electron correlation have been investigated\_ The i

A computational study of 2JHH(gem) indir
A computational study of 2JHH(gem) indirect spin–spin coupling constants in simple hydrides of the second and third periods
✍ Ibon Alkorta; Patricio F. Provasi; Gustavo A. Aucar; JosΓ© Elguero πŸ“‚ Article πŸ“… 2008 πŸ› John Wiley and Sons 🌐 English βš– 132 KB

## Abstract Several theoretical methods have been used to compute ^2^__J__~HH~ in neutral, anionic and cationic HXH hydrides, X being the 14 nuclei from Li to Cl (28 molecules). Since the calculations also provide ^1^__J__~XH~ spin–spin coupling constants (SSCC), these have also been analyzed. The